4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine

C24H31N3O2 — CID 18885145

IUPAC4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine
SMILESCc1ccc(OCCCCn2c(CN3CCOCC3)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-19-9-10-23(20(2)17-19)29-14-6-5-11-27-22-8-4-3-7-21(22)25-24(27)18-26-12-15-28-16-13-26/h3-4,7-10,17H,5-6,11-16,18H2,1-2H3
InChIKeyAKCYHNHKPVMSAN-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.34
Rot. Bonds8

About 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine

4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine (PubChem CID 18885145) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine
PubChem CID18885145
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine
SMILESCc1ccc(OCCCCn2c(CN3CCOCC3)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-19-9-10-23(20(2)17-19)29-14-6-5-11-27-22-8-4-3-7-21(22)25-24(27)18-26-12-15-28-16-13-26/h3-4,7-10,17H,5-6,11-16,18H2,1-2H3
InChIKeyAKCYHNHKPVMSAN-UHFFFAOYSA-N
XLogP4.34
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885573
2-benzyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 16995586
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797
1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
CID 17000547
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18885019
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
2-(azepan-1-ylmethyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 18885411
4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
CID 46309567
2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 18878462
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996115

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine (CID 18885145) is 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine is Cc1ccc(OCCCCn2c(CN3CCOCC3)nc3ccccc32)c(C)c1.
What is the InChIKey of 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine?
The InChIKey is AKCYHNHKPVMSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-9-10-23(20(2)17-19)29-14-6-5-11-27-22-8-4-3-7-21(22)25-24(27)18-26-12-15-28-16-13-26/h3-4,7-10,17H,5-6,11-16,18H2,1-2H3.
What are the key properties of 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine?
4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine has a molecular weight of 393.53 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 18885145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).